From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Thu Aug 16 2012 - 01:51:44 CDT
Hi Branko,
inputPrefix is an ABF option. Its place is in the ABF block, in the
colvars config.
Jerome
On 14 August 2012 19:04, Branko <bdrakuli_at_chem.bg.ac.rs> wrote:
> Hi,
>
> I try to merge two ABF outputs (grad and count), obtained by consequent runs
> by using inputPrefix, but NAMD stoped with the message at the end of the
> out file:
>
> 'Error: keyword "inputprefix" is not supported, or not recognized in this
> context.'
>
> I initialized third run, as the continuation of the previous two sequential
> runs, and this calculation should last only 10 steps, just to merge grad and
> count file of colvars (i.e. ABF). There is no other errors in input files or
> configuration. Colvars input is given below, any advice is appreciated
>
> Branko
>
> colvarsTrajFrequency 100
> colvarsRestartFrequency 10000
> analysis on
> inputPrefix 24diiPr-dmso-sech-md3 #-this is prefix from run I (from #
> not included in original input)
> 24diiPr-dmso-sech-md5 #-this is prefix from run II
> (from # not included in original input)
>
>
> colvar {
>
> name d
>
> lowerBoundary 2.80
> upperBoundary 10.20
> width 0.01
>
> distance {
> group1 {
> atomnumbers 1 3 5
> }
> group2 {
> atomnumbers 16 17 18
> }
> }
> }
> colvar {
> name gyration
> lowerBoundary 2.80
> upperBoundary 4.90
> width 0.01
>
> gyration {
> atoms {
> atomNumbers 7 8 9 10 11 12 13 14 15 19 20 21 22 23 24
> }
> }
> }
>
> abf {
> colvars d gyration
> fullSamples 500
> hideJacobian no
> outputFreq 1000
> applyBias yes
> }
>
>
>
>
>
>
>
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